2-[[4-fluoro-2-(trifluoromethyl)phenyl]methoxymethyl]-5-methylaniline

C16H15F4NO — CID 155581546

IUPAC2-[[4-fluoro-2-(trifluoromethyl)phenyl]methoxymethyl]-5-methylaniline
SMILESCc1ccc(COCc2ccc(F)cc2C(F)(F)F)c(N)c1
InChIInChI=1S/C16H15F4NO/c1-10-2-3-12(15(21)6-10)9-22-8-11-4-5-13(17)7-14(11)16(18,19)20/h2-7H,8-9,21H2,1H3
InChIKeySSVWATMQBAQYDQ-UHFFFAOYSA-N
MW313.29 g/mol
LogP4.45
Rot. Bonds4

About 2-[[4-fluoro-2-(trifluoromethyl)phenyl]methoxymethyl]-5-methylaniline

2-[[4-fluoro-2-(trifluoromethyl)phenyl]methoxymethyl]-5-methylaniline (PubChem CID 155581546) has the molecular formula C16H15F4NO and a molecular weight of 313.29 g/mol. Its IUPAC name is 2-[[4-fluoro-2-(trifluoromethyl)phenyl]methoxymethyl]-5-methylaniline.

Molecular Properties

Compound Name2-[[4-fluoro-2-(trifluoromethyl)phenyl]methoxymethyl]-5-methylaniline
PubChem CID155581546
Molecular FormulaC16H15F4NO
Molecular Weight313.29 g/mol
Exact Mass313.11
IUPAC Name2-[[4-fluoro-2-(trifluoromethyl)phenyl]methoxymethyl]-5-methylaniline
SMILESCc1ccc(COCc2ccc(F)cc2C(F)(F)F)c(N)c1
InChIInChI=1S/C16H15F4NO/c1-10-2-3-12(15(21)6-10)9-22-8-11-4-5-13(17)7-14(11)16(18,19)20/h2-7H,8-9,21H2,1H3
InChIKeySSVWATMQBAQYDQ-UHFFFAOYSA-N
XLogP4.45
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.29
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[(2-amino-4-methylphenyl)methoxymethyl]-5-methylaniline
CID 141256981
2-[(3-fluorophenyl)methoxymethyl]-5-methylaniline
CID 155580430
1-(fluoromethyl)-4-methyl-2-(trifluoromethyl)benzene
CID 91883597
2,2,2-trifluoroethyl 2-(2-amino-4-methylphenyl)acetate
CID 99991426
2-(chloromethyl)-5-methylaniline
CID 91883475
4-methyl-2-(trifluoromethyl)aniline
CID 2737710
5-fluoro-2-(hexoxymethyl)aniline
CID 64768637
1-[4-fluoro-2-(trifluoromethyl)phenyl]propan-2-one
CID 117115013
2-[(2-tert-butylphenoxy)methyl]-5-fluoroaniline
CID 64768828
2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methylaniline
CID 155655100
2-[(3-fluorophenyl)methyl]-5-methylaniline
CID 105468725
5-methyl-2-[[2-(trifluoromethyl)phenoxy]methyl]phenol
CID 117221012

Frequently Asked Questions

What is the IUPAC name of 2-[[4-fluoro-2-(trifluoromethyl)phenyl]methoxymethyl]-5-methylaniline?
The IUPAC name of 2-[[4-fluoro-2-(trifluoromethyl)phenyl]methoxymethyl]-5-methylaniline (CID 155581546) is 2-[[4-fluoro-2-(trifluoromethyl)phenyl]methoxymethyl]-5-methylaniline.
What is the SMILES notation for 2-[[4-fluoro-2-(trifluoromethyl)phenyl]methoxymethyl]-5-methylaniline?
The canonical SMILES for 2-[[4-fluoro-2-(trifluoromethyl)phenyl]methoxymethyl]-5-methylaniline is Cc1ccc(COCc2ccc(F)cc2C(F)(F)F)c(N)c1.
What is the InChIKey of 2-[[4-fluoro-2-(trifluoromethyl)phenyl]methoxymethyl]-5-methylaniline?
The InChIKey is SSVWATMQBAQYDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F4NO/c1-10-2-3-12(15(21)6-10)9-22-8-11-4-5-13(17)7-14(11)16(18,19)20/h2-7H,8-9,21H2,1H3.
What are the key properties of 2-[[4-fluoro-2-(trifluoromethyl)phenyl]methoxymethyl]-5-methylaniline?
2-[[4-fluoro-2-(trifluoromethyl)phenyl]methoxymethyl]-5-methylaniline has a molecular weight of 313.29 g/mol, XLogP of 4.45, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-fluoro-2-(trifluoromethyl)phenyl]methoxymethyl]-5-methylaniline is sourced from PubChem (CID 155581546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).